2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide

C16H24N2O3 — CID 91055870

IUPAC2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide
SMILESCOc1cc(CCN(CC2CC2)C(C)C(N)=O)ccc1O
InChIInChI=1S/C16H24N2O3/c1-11(16(17)20)18(10-13-3-4-13)8-7-12-5-6-14(19)15(9-12)21-2/h5-6,9,11,13,19H,3-4,7-8,10H2,1-2H3,(H2,17,20)
InChIKeyPLETZJXYVXPAAQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.53
Rot. Bonds8

About 2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide

2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide (PubChem CID 91055870) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide
PubChem CID91055870
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide
SMILESCOc1cc(CCN(CC2CC2)C(C)C(N)=O)ccc1O
InChIInChI=1S/C16H24N2O3/c1-11(16(17)20)18(10-13-3-4-13)8-7-12-5-6-14(19)15(9-12)21-2/h5-6,9,11,13,19H,3-4,7-8,10H2,1-2H3,(H2,17,20)
InChIKeyPLETZJXYVXPAAQ-UHFFFAOYSA-N
XLogP1.53
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 8681787
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
CID 175936648
CID 175936648
cyclopropylmethyl 3-amino-2-(4-hydroxy-3-methoxyphenyl)-3-oxopropanoate
CID 67394808
N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 12004095
5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide
CID 55001132
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate
CID 134337029
[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]butyl] 3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 57393829
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790
methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
CID 135228474
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide?
The IUPAC name of 2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide (CID 91055870) is 2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide is COc1cc(CCN(CC2CC2)C(C)C(N)=O)ccc1O.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide?
The InChIKey is PLETZJXYVXPAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(16(17)20)18(10-13-3-4-13)8-7-12-5-6-14(19)15(9-12)21-2/h5-6,9,11,13,19H,3-4,7-8,10H2,1-2H3,(H2,17,20).
What are the key properties of 2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide?
2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 91055870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).